D188-0050 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(4-methylphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

D188-0050 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(4-methylphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol
D188-0050 Screening compound: 9-(3,4-dimethoxyphenyl)-8-(4-methylphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D188-0050
9-(3,4-dimethoxyphenyl)-8-(4-methylphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D188-0050

Molecular Formula

C21H19N7O3 (C21 H19 N7 O3)

Compound Name

9-(3,4-dimethoxyphenyl)-8-(4-methylphenyl)-4,9-dihydro[1,2,3,4]tetraazolo[1',5':1,2]pyrimido[4,5-d]pyridazin-5-ol

IUPAC name

8-(34-dimethoxyphenyl)-10-(4-methylphenyl)-245671112-heptaazatricyclo[7.4.0.0^{37}]trideca-1(9)351012-pentaen-13-ol

SMILES

Cc(cc1)ccc1-c(nn1)c(C(c(cc2)cc(OC)c2OC)n2nnnc2N2)c2c1O

InChI

InChI=1S/C21H19N7O3/c1-11-4-6-12(7-5-11)17-16-18(20(29)24-23-17)22-21-25-26-27-28(21)19(16)13-8-9-14(30-2)15(10-13)31-3/h4-10,19H,1-3H3,(H,24,29)(H,22,25,27)/t19-/m0/s1

InChI Key

UPYLAOQRSRIZDX-IBGZPJMESA-N

MDL Number (MFCD)

MFCD09157059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.063

Distribution Coefficient, logD

2.063

Water Solubility, LogSw

-2.49

Polar Surface Area

105.026

Acid Dissociation Constant (pKa)

7.06

Base Dissociation Constant (pKb)

10.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

D188-0050 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D188-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D188-0050?
Check Price and Availability of D188-0050, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D188-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D188-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D188-0050
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D188-0050 available by request